SCHEMBL7717696

SCHEMBL7717696

C#CC(O)c1ccc(OC)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.42
RARB P10826 2/20 0.42
RARG P13631 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
WDR5 P61964 1/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6968952 0.82 PPARG (0.53) ALDH1A1CYP3A4PPARGPPARDPPARA
SCHEMBL7714825 0.81 THRA (0.40) ALDH1A1GAALMNATP53KMT2A
SCHEMBL7714818 0.80 RARA (0.39) RARARARBRARGALDH1A1GAA
SCHEMBL7715241 0.79 THRA (0.49) ALDH1A1HPGD
SCHEMBL6964060 0.79 TUBB4A (0.55) ALDH1A1CYP3A4ALOX15TUBB4ATUBB
SCHEMBL9885327 0.76 HDAC4 (0.44) RARARARBRARGALDH1A1GAA
SCHEMBL6957418 0.76 TSHR (0.58) ALDH1A1CYP3A4ACHENPSR1TSHR
SCHEMBL2098921 0.75 CYP1A2 (0.31) ALDH1A1TSHRCYP1A2
SCHEMBL9184968 0.75 ALDH1A1 (0.43) RARARARBRARGALDH1A1GAA
SCHEMBL14184950 0.75 ALDH1A1 (0.43) RARARARBRARGALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 US disclosed
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed
EP-0661258-A1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 EP disclosed